1-(3-fluoro-5-methylphenyl)-2-methoxy-2-phenylethanol

C16H17FO2 — CID 116756883

IUPAC1-(3-fluoro-5-methylphenyl)-2-methoxy-2-phenylethanol
SMILESCOC(c1ccccc1)C(O)c1cc(C)cc(F)c1
InChIInChI=1S/C16H17FO2/c1-11-8-13(10-14(17)9-11)15(18)16(19-2)12-6-4-3-5-7-12/h3-10,15-16,18H,1-2H3
InChIKeyZYZQVYNQPLOVPE-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.56
Rot. Bonds4

About 1-(3-fluoro-5-methylphenyl)-2-methoxy-2-phenylethanol

1-(3-fluoro-5-methylphenyl)-2-methoxy-2-phenylethanol (PubChem CID 116756883) has the molecular formula C16H17FO2 and a molecular weight of 260.31 g/mol. Its IUPAC name is 1-(3-fluoro-5-methylphenyl)-2-methoxy-2-phenylethanol.

Molecular Properties

Compound Name1-(3-fluoro-5-methylphenyl)-2-methoxy-2-phenylethanol
PubChem CID116756883
Molecular FormulaC16H17FO2
Molecular Weight260.31 g/mol
Exact Mass260.12
IUPAC Name1-(3-fluoro-5-methylphenyl)-2-methoxy-2-phenylethanol
SMILESCOC(c1ccccc1)C(O)c1cc(C)cc(F)c1
InChIInChI=1S/C16H17FO2/c1-11-8-13(10-14(17)9-11)15(18)16(19-2)12-6-4-3-5-7-12/h3-10,15-16,18H,1-2H3
InChIKeyZYZQVYNQPLOVPE-UHFFFAOYSA-N
XLogP3.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-1-(3-fluoro-5-methylphenyl)-2-phenylethanol
CID 116757127
1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-2-phenylethanol
CID 106881196
1-(3,4-difluorophenyl)-2-methoxy-2-phenylethanol
CID 116756981
2-methoxy-1-(2-methoxy-4,6-dimethylphenyl)-2-phenylethanol
CID 106680320
1-(3-fluoro-5-methylphenyl)-2-methoxy-3-methylbutan-1-ol
CID 116711949
1-(2,4-dimethylphenyl)-2-methoxy-2-phenylethanol
CID 116756761
1-(3,5-dimethylphenyl)-2-methoxy-2-phenylethanamine
CID 116772917
3-(3,5-dimethylphenyl)-1-methoxy-1-phenylpropan-2-ol
CID 116757000
(3-fluoro-5-methylphenyl)-(3-methoxyphenyl)methanol
CID 79689828
N-[(1S)-1-(3-fluoro-5-methylphenyl)ethyl]-N-methyl-1-phenylethanamine
CID 58819068
1-(3-fluoro-5-methylphenyl)-2-methyl-2-phenylpropan-1-ol
CID 79703267
(2S,3R)-3-methoxy-3-phenylpropane-1,2-diol
CID 14249015

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methylphenyl)-2-methoxy-2-phenylethanol?
The IUPAC name of 1-(3-fluoro-5-methylphenyl)-2-methoxy-2-phenylethanol (CID 116756883) is 1-(3-fluoro-5-methylphenyl)-2-methoxy-2-phenylethanol.
What is the SMILES notation for 1-(3-fluoro-5-methylphenyl)-2-methoxy-2-phenylethanol?
The canonical SMILES for 1-(3-fluoro-5-methylphenyl)-2-methoxy-2-phenylethanol is COC(c1ccccc1)C(O)c1cc(C)cc(F)c1.
What is the InChIKey of 1-(3-fluoro-5-methylphenyl)-2-methoxy-2-phenylethanol?
The InChIKey is ZYZQVYNQPLOVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO2/c1-11-8-13(10-14(17)9-11)15(18)16(19-2)12-6-4-3-5-7-12/h3-10,15-16,18H,1-2H3.
What are the key properties of 1-(3-fluoro-5-methylphenyl)-2-methoxy-2-phenylethanol?
1-(3-fluoro-5-methylphenyl)-2-methoxy-2-phenylethanol has a molecular weight of 260.31 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methylphenyl)-2-methoxy-2-phenylethanol is sourced from PubChem (CID 116756883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).